1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene

C10H13Cl2O2P — CID 139754036

IUPAC1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OP(=O)(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl2O2P/c1-8(2)7-9-3-5-10(6-4-9)14-15(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyYTHGZZWFYTXDLK-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.85
Rot. Bonds4

About 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene

1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene (PubChem CID 139754036) has the molecular formula C10H13Cl2O2P and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
PubChem CID139754036
Molecular FormulaC10H13Cl2O2P
Molecular Weight267.09 g/mol
Exact Mass266.00
IUPAC Name1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OP(=O)(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl2O2P/c1-8(2)7-9-3-5-10(6-4-9)14-15(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyYTHGZZWFYTXDLK-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene?
The IUPAC name of 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene (CID 139754036) is 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(OP(=O)(Cl)Cl)cc1.
What is the InChIKey of 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene?
The InChIKey is YTHGZZWFYTXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2O2P/c1-8(2)7-9-3-5-10(6-4-9)14-15(11,12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene?
1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 139754036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).